4-(1-adamantyl)-N'-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]quinoline-2-carbohydrazide dihydrobromide

Systemtic Name: 4-(1-adamantyl)-N'-[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]quinoline-2-carbohydrazide dihydrobromide Openeye Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]quinoline-2-carbohydrazide dihydrobromide CAS Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-2-quinolinecarbohydrazide dihydrobromide IUPAC Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]quinoline-2-carbohydrazide dihydrobromide Traditional Name: 4-(1-adamantyl)-N'-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]quinaldohydrazide dihydrobromide Formula: C29H34Br2N4O3 MolecularWeight: 646.41326

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)C(CC6=CC=C(C=C6)O)N.Br.Br

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC(=O)[C@H](CC6=CC=C(C=C6)O)N.Br.Br

InChI

InChI=1S/C29H32N4O3.2BrH/c30-24(12-17-5-7-21(34)8-6-17)27(35)32-33-28(36)26-13-23(22-3-1-2-4-25(22)31-26)29-14-18-9-19(15-29)11-20(10-18)16-29;;/h1-8,13,18-20,24,34H,9-12,14-16,30H2,(H,32,35)(H,33,36);2*1H/t18?,19?,20?,24-,29?;;/m0../s1